Estradiol Diundecanoate
[CAS# 1263-57-6]

Identification

• Name: Estradiol Diundecanoate
• Synonyms: Undecanoic Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-(1-Oxoundecoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Undecanoic Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-Undecanoyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₄₀H₆₄O₄
• Molecular Weight: 608.94
• CAS Registry Number: 1263-57-6
• EINECS: 215-029-6
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(OC(=O)CCCCCCCCCC)C=C1CC2)CC[C@@]3([C@@H](OC(=O)CCCCCCCCCC)CC4)C
• InChI: 1S/C40H64O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h23,25,30,34-37H,4-22,24,26-29H2,1-3H3/t34-,35-,36+,37+,40+/m1/s1
• InChIKey: PWQIMJUJIMPDSQ-OBRFQGJBSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 663.156°C at 760 mmHg (Cal.)
• Flash point: 319.907°C (Cal.)